N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide

C27H22FN3O3 — CID 19660575

IUPACN-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccccc1F)c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C27H22FN3O3/c1-18(30-31-27(33)26(32)29-25-12-5-4-11-24(25)28)19-13-15-22(16-14-19)34-17-21-9-6-8-20-7-2-3-10-23(20)21/h2-16H,17H2,1H3,(H,29,32)(H,31,33)/b30-18+
InChIKeyMGOANJSFCKPEDE-UXHLAJHPSA-N
MW455.49 g/mol
LogP5.04
Rot. Bonds6

About N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide

N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide (PubChem CID 19660575) has the molecular formula C27H22FN3O3 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide
PubChem CID19660575
Molecular FormulaC27H22FN3O3
Molecular Weight455.49 g/mol
Exact Mass455.16
IUPAC NameN-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccccc1F)c1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C27H22FN3O3/c1-18(30-31-27(33)26(32)29-25-12-5-4-11-24(25)28)19-13-15-22(16-14-19)34-17-21-9-6-8-20-7-2-3-10-23(20)21/h2-16H,17H2,1H3,(H,29,32)(H,31,33)/b30-18+
InChIKeyMGOANJSFCKPEDE-UXHLAJHPSA-N
XLogP5.04
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.49
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19658302
N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659738
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide
CID 19660439
N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3618515
N-[1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 5179014
N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 19659649
N-(3-chloro-2-methylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 5105677
N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19660675
N-benzyl-N'-[(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19661116
N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide
CID 19661535
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659544
4-(naphthalen-1-ylmethoxy)benzohydrazide
CID 91683225

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide (CID 19660575) is N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide is C/C(=N\NC(=O)C(=O)Nc1ccccc1F)c1ccc(OCc2cccc3ccccc23)cc1.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide?
The InChIKey is MGOANJSFCKPEDE-UXHLAJHPSA-N. The full InChI is InChI=1S/C27H22FN3O3/c1-18(30-31-27(33)26(32)29-25-12-5-4-11-24(25)28)19-13-15-22(16-14-19)34-17-21-9-6-8-20-7-2-3-10-23(20)21/h2-16H,17H2,1H3,(H,29,32)(H,31,33)/b30-18+.
What are the key properties of N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide?
N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide has a molecular weight of 455.49 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide is sourced from PubChem (CID 19660575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).